Tocopherol Impurity 77

CAT: 1299-RM-T031877-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T031877-02Size:25 mg

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CAS Number

69371-91-1

Synonyms

3- (3-hydroxy-3,7,11,15-tetramethylhexadecyl) -2,5,6-trimethylphenol

Molecular Formula

C29H52O2

Molecular Weight

432.73

Target Alternative Name

Tocopherol

Product Name Synonym

3- (3-hydroxy-3,7,11,15-tetramethylhexadecyl) -2,5,6-trimethylphenol

Chemical Information

2,3,6-Trimethyl-5-(3-hydroxy3,7,11,15-tetramethylhexadecanyl)-phenol

CAS Number	69371-91-1
PubChem CID	12810993
IUPAC Name	3-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-2,5,6-trimethylphenol
Molecular Formula	C29H52O2
Molecular Weight	432.7
XLogP	10.3
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Heavy Atom Count	31
Formal Charge	0
Complexity	462

SMILES

CC1=CC(=C(C(=C1C)O)C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O

InChI

InChI=1S/C29H52O2/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-29(8,31)19-17-27-20-24(5)25(6)28(30)26(27)7/h20-23,30-31H,9-19H2,1-8H3

InChIKey

MCLYFRBHXAUBID-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 69371-91-1

CID: 12810993

Formula: C29H52O2

MW: 432.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	432.7
XLogP3	10.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Exact Mass	432.396730897
Monoisotopic Mass	432.396730897
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	462
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-T031880-01	RRR-α-Tocopherol EP impurity A (RRR-δ-tocopherol, D-δ-Tocopherol)
RM-T031866-01	Tocopherol Impurity 66
RM-T031867-01	Tocopherol Impurity 67
RM-T031878-01	Tocopherol Impurity 78
RM-T031875-01	Tocopherol Impurity 75
RG-A262148-01	Tocopherol Impurity 60
RM-T031864-01	Tocopherol Impurity 64
RM-T031861-01	Tocopherol Impurity 61
RM-T031863-01	Tocopherol Impurity 63
RM-T031879-01	Tocopherol Impurity 79

Catalog	Name
AR-V01631-01	Tocopherol Impurity 3
AR-V01583-01	Tocopherol Impurity 1
AR-V01577-01	Tocopherol Impurity 2 (Deshydroxy Tocopherol Quinone)
CS-O-50047	DL-alpha-Tocopherol Impurity-C
AR-V01555-01	All-rac-alfa-Tocopherol EP impurity C
CS-O-60008	All-rac-alfa-Tocopherol EP Impurity D
AR-V01582-01	Tocopherol EP Impurity D (Vitamin E Impurity E) - (Mixture of Isomers)
CS-T-53097	All-rac-alfa-Tocopherol EP Impurity A (Mixture of Diastereomers)
XT170867-01	All-rac-alfa-Tocopherol EP Impurity A - (Mixture of Diastereomers)
AR-V06820-01	All-rac-alfa-Tocopherol EP Impurity C (Mixture of Isomers)